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CHEBI:71426 - 3-oxoisooctadecanoyl-CoA(4−)
| Formula | C39H64N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1043.961 |
| Monoisotopic Mass | 1043.32633 |
| SMILES | CC(C)CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
| InChI | InChI=1S/C39H68N7O18P3S/c1-26(2)15-13-11-9-7-5-6-8-10-12-14-16-27(47)21-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(3,4)23-61-67(58,59)64-66(56,57)60-22-28-33(63-65(53,54)55)32(50)38(62-28)46-25-45-31-35(40)43-24-44-36(31)46/h24-26,28,32-34,38,50-51H,5-23H2,1-4H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t28-,32-,33-,34+,38-/m1/s1 |
| InChIKey | VWIBFNJZEONKKS-LFZQUHGESA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) is a (ω−1)-methyl-3-oxo-fatty acyl-CoA(4−) (CHEBI:183086) |
| 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758) |
| 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) is conjugate base of 3-oxoisooctadecanoyl-CoA (CHEBI:71436) |
| Incoming Relation(s) |
| 3-oxoisooctadecanoyl-CoA (CHEBI:71436) is conjugate acid of 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(16-methyl-3-oxoheptadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 3-ketoisooctadecanoyl-CoA(4−) | ChEBI |
| 3-oxoisooctadecanoyl-coenzyme A(4−) | ChEBI |
| 3-ketoisooctadecanoyl-coenzyme A(4−) | ChEBI |
| 3-oxoisostearoyl-CoA(4−) | ChEBI |
| 16-methyl-3-oxoheptadecanoyl-CoA(4−) | ChEBI |
| 3-oxoisostearoyl-coenzyme A(4−) | ChEBI |